(2R,4R)-1-[4-nitro-3-(trifluoromethyl)phenyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4R)-1-[4-nitro-3-(trifluoromethyl)phenyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2R,4R)-4-hydroxy-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid CAS Name: (2R,4R)-4-hydroxy-1-[4-nitro-3-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4R)-4-hydroxy-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid Traditional Name: (2R,4R)-4-hydroxy-1-[4-nitro-3-(trifluoromethyl)phenyl]proline Formula: C12H11F3N2O5 MolecularWeight: 320.22135

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

C1[C@H](CN([C@H]1C(=O)O)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C12H11F3N2O5/c13-12(14,15)8-3-6(1-2-9(8)17(21)22)16-5-7(18)4-10(16)11(19)20/h1-3,7,10,18H,4-5H2,(H,19,20)/t7-,10-/m1/s1